N-[3-[3-(8-thiophen-2-ylcarbonylimidazo[1,5-a]pyrimidin-4-yl)phenyl]prop-2-ynyl]ethanesulfonamide

Systemtic Name: N-[3-[3-(8-thiophen-2-ylcarbonylimidazo[1,5-a]pyrimidin-4-yl)phenyl]prop-2-ynyl]ethanesulfonamide Openeye Name: N-[3-[3-[8-(thiophene-2-carbonyl)imidazo[1,5-a]pyrimidin-4-yl]phenyl]prop-2-ynyl]ethanesulfonamide CAS Name: N-[3-[3-[8-[oxo(thiophen-2-yl)methyl]-4-imidazo[1,5-a]pyrimidinyl]phenyl]prop-2-ynyl]ethanesulfonamide IUPAC Name: N-[3-[3-[8-(thiophene-2-carbonyl)imidazo[1,5-a]pyrimidin-4-yl]phenyl]prop-2-ynyl]ethanesulfonamide Traditional Name: N-[3-[3-[8-(2-thenoyl)imidazo[1,5-a]pyrimidin-4-yl]phenyl]prop-2-ynyl]ethanesulfonamide Formula: C22H18N4O3S2 MolecularWeight: 450.53332

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NCC#CC1=CC(=CC=C1)C2=CC=NC3=C(N=CN23)C(=O)C4=CC=CS4

Isomeric SMILES

CCS(=O)(=O)NCC#CC1=CC(=CC=C1)C2=CC=NC3=C(N=CN23)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H18N4O3S2/c1-2-31(28,29)25-11-4-7-16-6-3-8-17(14-16)18-10-12-23-22-20(24-15-26(18)22)21(27)19-9-5-13-30-19/h3,5-6,8-10,12-15,25H,2,11H2,1H3